1-[(4-chlorophenyl)sulfonylmethyl]-3-(trifluoromethyl)benzene

C14H10ClF3O2S — CID 2803725

IUPAC1-[(4-chlorophenyl)sulfonylmethyl]-3-(trifluoromethyl)benzene
SMILESO=S(=O)(Cc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1
InChIInChI=1S/C14H10ClF3O2S/c15-12-4-6-13(7-5-12)21(19,20)9-10-2-1-3-11(8-10)14(16,17)18/h1-8H,9H2
InChIKeyBGODBYCQSDDIQL-UHFFFAOYSA-N
MW334.75 g/mol
LogP4.33
Rot. Bonds3

About 1-[(4-chlorophenyl)sulfonylmethyl]-3-(trifluoromethyl)benzene

1-[(4-chlorophenyl)sulfonylmethyl]-3-(trifluoromethyl)benzene (PubChem CID 2803725) has the molecular formula C14H10ClF3O2S and a molecular weight of 334.75 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)sulfonylmethyl]-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-[(4-chlorophenyl)sulfonylmethyl]-3-(trifluoromethyl)benzene
PubChem CID2803725
Molecular FormulaC14H10ClF3O2S
Molecular Weight334.75 g/mol
Exact Mass334.00
IUPAC Name1-[(4-chlorophenyl)sulfonylmethyl]-3-(trifluoromethyl)benzene
SMILESO=S(=O)(Cc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1
InChIInChI=1S/C14H10ClF3O2S/c15-12-4-6-13(7-5-12)21(19,20)9-10-2-1-3-11(8-10)14(16,17)18/h1-8H,9H2
InChIKeyBGODBYCQSDDIQL-UHFFFAOYSA-N
XLogP4.33
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.75
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-methylphenyl)methylsulfonyl]-3-(trifluoromethyl)benzene
CID 177392501
3-[(4-chlorophenyl)sulfonylmethyl]-N'-hydroxybenzenecarboximidamide
CID 2819006
1-[[2-(4-chlorophenyl)sulfonylacetyl]amino]-3-[3-(trifluoromethyl)phenyl]urea
CID 4123379
(E)-2-(4-chlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethenesulfonamide
CID 32940502
1-[(4-chlorophenyl)methyl]-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine
CID 22195771
3-[3-(trifluoromethyl)phenyl]prop-1-yne-1-sulfonyl chloride
CID 117265295
(1S)-1-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanol
CID 121456490
5-(4-chlorophenyl)sulfonyl-2-methyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide
CID 57430119
N-[(4-chlorophenyl)methyl]-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 13478469
2-[[3,5-bis(trifluoromethyl)phenyl]sulfonylmethyl]-1,3-dichlorobenzene
CID 2807423
[4-[(4-chlorophenyl)sulfonylmethyl]-2-pyridinyl]methanamine
CID 64697151
N-(cyanomethyl)-1-[3-(trifluoromethyl)phenyl]methanesulfonamide
CID 15616017

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)sulfonylmethyl]-3-(trifluoromethyl)benzene?
The IUPAC name of 1-[(4-chlorophenyl)sulfonylmethyl]-3-(trifluoromethyl)benzene (CID 2803725) is 1-[(4-chlorophenyl)sulfonylmethyl]-3-(trifluoromethyl)benzene.
What is the SMILES notation for 1-[(4-chlorophenyl)sulfonylmethyl]-3-(trifluoromethyl)benzene?
The canonical SMILES for 1-[(4-chlorophenyl)sulfonylmethyl]-3-(trifluoromethyl)benzene is O=S(=O)(Cc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)sulfonylmethyl]-3-(trifluoromethyl)benzene?
The InChIKey is BGODBYCQSDDIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF3O2S/c15-12-4-6-13(7-5-12)21(19,20)9-10-2-1-3-11(8-10)14(16,17)18/h1-8H,9H2.
What are the key properties of 1-[(4-chlorophenyl)sulfonylmethyl]-3-(trifluoromethyl)benzene?
1-[(4-chlorophenyl)sulfonylmethyl]-3-(trifluoromethyl)benzene has a molecular weight of 334.75 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)sulfonylmethyl]-3-(trifluoromethyl)benzene is sourced from PubChem (CID 2803725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).